5,5-dimethylimidazolidine-2,4-dione

C5H8N2O2 — CID 6491

IUPAC5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKeyYIROYDNZEPTFOL-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.40
Rot. Bonds

About 5,5-dimethylimidazolidine-2,4-dione

5,5-dimethylimidazolidine-2,4-dione (PubChem CID 6491) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethylimidazolidine-2,4-dione
PubChem CID6491
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKeyYIROYDNZEPTFOL-UHFFFAOYSA-N
XLogP-0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethylimidazolidine-2,4-dione (CID 6491) is 5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)NC1=O.
What is the InChIKey of 5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YIROYDNZEPTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9).
What are the key properties of 5,5-dimethylimidazolidine-2,4-dione?
5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 128.13 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 6491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).